Geometry & MOs

Info

ID:	44175
PubChem CID:	10501322
Reduced:	ClSO2N4C19H19 (1)
Stoich.:	ABC2D4E19F19 (1)
Weight, g/mol:	402.99167
ΔH_f, kcal/mol:	29.89
Dipole, Da:	2.34
IP(EA), eV:	-8.31(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(6-iodo-2,4-dioxo-3,1-benzoxazin-1-yl)acetate

Drug info:

PubChemData

Smile

CCCOC1=C2C(=NC3=C(N2)C=C(C=C3)Cl)N(NC(C1=O)C4=CC=CS4)C

DOS

IR

Vibrations